N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide

C23H19ClN2O3 — CID 1323035

IUPACN-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1
InChIInChI=1S/C23H19ClN2O3/c1-2-15-7-10-17(11-8-15)28-14-22(27)25-16-9-12-21-20(13-16)26-23(29-21)18-5-3-4-6-19(18)24/h3-13H,2,14H2,1H3,(H,25,27)
InChIKeyKDMQSMCNFQSOGA-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.73
Rot. Bonds6

About N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide

N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide (PubChem CID 1323035) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide
PubChem CID1323035
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC NameN-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1
InChIInChI=1S/C23H19ClN2O3/c1-2-15-7-10-17(11-8-15)28-14-22(27)25-16-9-12-21-20(13-16)26-23(29-21)18-5-3-4-6-19(18)24/h3-13H,2,14H2,1H3,(H,25,27)
InChIKeyKDMQSMCNFQSOGA-UHFFFAOYSA-N
XLogP5.73
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide
CID 4595683
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 23798841
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 46231324
2-(4-methoxyphenoxy)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348668
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 1327247
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 1422010
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
CID 1305958
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 1336278
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 21213263
2-(4-tert-butylphenoxy)-N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2721135
N-(3,4-dichlorophenyl)-2-(4-ethylphenoxy)acetamide
CID 706860

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide (CID 1323035) is N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1.
What is the InChIKey of N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide?
The InChIKey is KDMQSMCNFQSOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-2-15-7-10-17(11-8-15)28-14-22(27)25-16-9-12-21-20(13-16)26-23(29-21)18-5-3-4-6-19(18)24/h3-13H,2,14H2,1H3,(H,25,27).
What are the key properties of N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide?
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide has a molecular weight of 406.87 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 1323035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).